Geometry & MOs

Info

ID:

67949

PubChem CID:

46507493

Reduced:

ClO2S2N3H22C27 (1)

Stoich.:

AB2C2D3E22F27 (1)

Weight, g/mol:

527.094904

ΔHf, kcal/mol:

15.42

Dipole, Da:

3.8

IP(EA), eV:

 -8.76(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2-ethoxyphenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)N=CC=C4)N=C2SCC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations